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fleur
fleur
Commits
85a71a67
Commit
85a71a67
authored
Nov 08, 2017
by
Gregor Michalicek
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Remove writing of output density in main/cdngen.F90
parent
92eb0dcc
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main/cdngen.F90
main/cdngen.F90
+1
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main/cdngen.F90
View file @
85a71a67
...
...
@@ -76,7 +76,7 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
REAL
fix
,
qtot
,
scor
,
seig
,
smom
,
stot
,
sval
,
dummy
REAL
slmom
,
slxmom
,
slymom
,
sum
,
thetai
,
phii
,
fermiEnergyTemp
INTEGER
iter
,
ivac
,
j
,
jspin
,
jspmax
,
k
,
n
,
nt
,
ieig
,
ikpt
INTEGER
ityp
,
ilayer
,
urec
,
itype
,
iatom
,
archiveType
INTEGER
ityp
,
ilayer
,
urec
,
itype
,
iatom
LOGICAL
l_relax_any
,
exst
,
n_exist
,
l_qfix
,
l_enpara
LOGICAL
,
PARAMETER
::
l_st
=
.FALSE.
...
...
@@ -97,8 +97,6 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
iter
=
inIter
CALL
outDen
%
init
(
stars
,
atoms
,
sphhar
,
vacuum
,
oneD
,
input
%
jspins
,
.FALSE.
,
POTDEN_TYPE_DEN
)
archiveType
=
CDN_ARCHIVE_TYPE_CDN1_const
IF
(
noco
%
l_noco
)
archiveType
=
CDN_ARCHIVE_TYPE_NOCO_const
IF
(
mpi
%
irank
.EQ.
0
)
THEN
INQUIRE
(
file
=
'enpara'
,
exist
=
l_enpara
)
...
...
@@ -486,8 +484,6 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
END
IF
END
IF
CALL
writeDensity
(
stars
,
vacuum
,
atoms
,
cell
,
sphhar
,
input
,
sym
,
oneD
,
archiveType
,&
CDN_OUTPUT_DEN_const
,
0
,
results
%
last_distance
,
results
%
ef
,
.FALSE.
,
outDen
)
ENDIF
! mpi%irank.EQ.0
#ifdef CPP_MPI
...
...
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